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Substance Name: Ledipasvir D-tartrate
RN: 1499193-68-8
UNII: RT680T6HCQ
InChIKey: ZQVLPYMRXLPMDX-KEAIDYLOSA-N

Molecular Formula

  • C49-H54-F2-N8-O6.C4-H6-O6

Molecular Weight

  • 1039.097
 
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Names and Synonyms

Name of Substance

  • Ledipasvir D-tartrate

Synonyms

  • Carbamic acid, N-((1S)-1-(((6S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((2S)-2-((methoxycarbonyl)amino)-3-methyl-1-oxobutyl)-2-azabicyclo(2.2.1)hept-3-yl)-1H-benzimidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro(2.4)hept-5-yl)carbonyl)-2-me
  • Ledipasvir D-tartrate
  • UNII-RT680T6HCQ

Registry Numbers

CAS Registry Number

  • 1499193-68-8

FDA UNII

  • RT680T6HCQ

System Generated Number

  • 1499193688

Structure Descriptors

InChI

1S/C49H54F2N8O6.C4H6O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6;5-1(3(7)8)2(6)4(9)10/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63);1-2,5-6H,(H,7,8)(H,9,10)/t29-,30+,38-,39-,40-,41-;1-,2-/m00/s1

InChIKey

ZQVLPYMRXLPMDX-KEAIDYLOSA-N

Smiles

COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1c3ncc([nH]3)c4ccc5c6ccc(cc6C(F)(F)c5c4)c7ccc8nc([nH]c8c7)[C@@H]9[C@H]%10CC[C@H](C%10)N9C(=O)[C@@H](NC(=O)OC)C(C)C.O[C@@H]([C@H](O)C(=O)O)C(=O)O